CID 71587678

Fema no. 4545

Structural Information

Molecular Formula

C₁₀H₁₄O₂S₂

SMILES

CC1C(CCO1)SSC2=C(OC=C2)C

InChI

InChI=1S/C10H14O2S2/c1-7-9(3-5-11-7)13-14-10-4-6-12-8(10)2/h3,5,8,10H,4,6H2,1-2H3

InChIKey

MTTMKSFOBKDZSO-UHFFFAOYSA-N

Compound name

2-methyl-3-[(2-methyloxolan-3-yl)disulfanyl]furan

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 36
Patents: 230.04352 Da
Monoisotopic Mass: 2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	231.05080	148.9
[M+Na]+	253.03274	158.6
[M-H]-	229.03624	157.7
[M+NH4]+	248.07734	169.5
[M+K]+	269.00668	157.9
[M+H-H2O]+	213.04078	145.6
[M+HCOO]-	275.04172	162.2
[M+CH3COO]-	289.05737	162.8
[M+Na-2H]-	251.01819	147.4
[M]+	230.04297	153.8
[M]-	230.04407	153.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe